%chk=000179099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179099

0 1
O 3.496357 -1.481596 1.395811
O -3.500208 -1.477051 1.391791
N 3.563879 1.402656 0.228079
N -3.562421 1.407109 0.223551
N -0.000249 0.873056 1.237708
N 5.224146 2.016564 -1.225644
N -5.220018 2.023007 -1.232378
N 6.468182 -0.160466 -1.167312
N -6.466984 -0.152383 -1.175355
N 5.464609 -1.868965 0.256226
N -5.467514 -1.861983 0.249747
N 7.368367 -2.379581 -1.060013
N -7.370252 -2.370283 -1.068865
C 2.356014 1.448305 1.070301
C -2.355562 1.451287 1.067289
C 1.242652 0.553940 0.475932
C -1.242589 0.555467 0.474383
C 4.402900 0.293509 0.084737
C -4.402708 0.299047 0.079272
C 5.423833 0.706126 -0.813367
C -5.421949 0.712884 -0.820194
C 4.081507 2.414025 -0.579326
C -4.077689 2.419055 -0.584648
C 4.358752 -1.061503 0.657458
C -4.361093 -1.055932 0.652264
C 6.394003 -1.466397 -0.601233
C -6.395263 -1.458320 -0.608974
H 2.617951 1.090517 2.097600
H 2.001337 2.500100 1.167213
H -1.999675 2.502639 1.164576
H -2.619244 1.093907 2.094283
H 1.107762 0.775679 -0.604296
H 1.546139 -0.519246 0.550635
H -1.547533 -0.517326 0.548767
H -1.106060 0.776957 -0.605692
H -0.001123 0.349177 2.123933
H 3.642100 3.397941 -0.680225
H -3.636859 3.402378 -0.685103
H 7.126103 0.107686 -1.895431
H -7.123594 0.116515 -1.904383
H 8.314878 -2.037039 -1.165596
H 7.333465 -3.294056 -0.604541
H -8.316172 -2.026487 -1.175710
H -7.337174 -3.284719 -0.613172


%chk=000179099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179099

0 1
O 3.327909 -1.508339 1.374692
O -3.331689 -1.506661 1.368688
N 3.713520 1.390274 0.269306
N -3.711987 1.393794 0.266298
N 0.000342 1.035058 0.885088
N 5.538835 1.948381 -0.998933
N -5.535433 1.956110 -1.002773
N 6.576069 -0.315530 -0.948281
N -6.575379 -0.306635 -0.956795
N 5.371516 -2.012252 0.296673
N -5.374013 -2.006822 0.286500
N 7.389242 -2.534089 -0.755672
N -7.392806 -2.523798 -0.766189
C 2.414112 1.494078 0.963558
C -2.413241 1.495191 0.962123
C 1.253574 0.931382 0.108961
C -1.252334 0.932774 0.107867
C 4.483230 0.221701 0.139535
C -4.482204 0.225980 0.132672
C 5.585967 0.612750 -0.636478
C -5.584236 0.619834 -0.642934
C 4.380276 2.385027 -0.429762
C -4.377086 2.390549 -0.431501
C 4.315857 -1.135072 0.665086
C -4.315958 -1.132361 0.654536
C 6.405046 -1.614547 -0.446581
C -6.406837 -1.606432 -0.456287
H 2.484619 0.918893 1.902431
H 2.221253 2.553557 1.203048
H -2.219613 2.554115 1.203459
H -2.485283 0.918641 1.900050
H 1.146799 1.538837 -0.809920
H 1.505113 -0.108940 -0.194743
H -1.504195 -0.107107 -0.197085
H -1.144523 1.541167 -0.810275
H -0.000338 0.368185 1.670597
H 4.008544 3.404516 -0.498111
H -4.004380 3.409847 -0.497344
H 7.379600 -0.029087 -1.509666
H -7.378411 -0.018128 -1.517836
H 8.207244 -2.317212 -1.318054
H 7.256628 -3.473140 -0.388021
H -8.210271 -2.304894 -1.328566
H -7.262074 -3.463395 -0.399261


